3D-QSAR and molecular docking studies of amino-pyrimidine derivatives as PknB inhibitors
Damre, Mangesh V., Gangwal, Rahul P., Dhoke, Gaurao V., Lalit, Manisha, Sharma, Dipna, Khandelwal, Kanchan, Sangamwar, Abhay T.
Published in Journal of the Taiwan Institute of Chemical Engineers (01.03.2014)
Published in Journal of the Taiwan Institute of Chemical Engineers (01.03.2014)
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Journal Article
A combined pharmacophore modeling, 3D-QSAR and molecular docking study of substituted bicyclo-[3.3.0]oct-2-enes as liver receptor homolog-1 (LRH-1) agonists
Lalit, Manisha, Gangwal, Rahul P., Dhoke, Gaurao V., Damre, Mangesh V., Khandelwal, Kanchan, Sangamwar, Abhay T.
Published in Journal of molecular structure (08.10.2013)
Published in Journal of molecular structure (08.10.2013)
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Journal Article
Computational insights into the active site of human breast cancer resistance protein (BCRP/ABCG2): a similarity search approach
Khandelwal, Kanchan, Gangwal, Rahul Prakashchand, Singh, Udghosh, Prajapati, Rameshwar, Damre, Mangesh V., Sangamwar, Abhay T.
Published in Medicinal chemistry research (01.11.2014)
Published in Medicinal chemistry research (01.11.2014)
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Structure-Based Virtual Screening and Molecular Dynamic Simulation Studies to Identify Novel Cytochrome bc1 Inhibitors as Antimalarial Agents
Gangwal, Rahul P., Dhoke, Gaurao V., Damre, Mangesh V., Khandelwal, Kanchan, Sangamwar, Abhay T.
Published in Journal of Computational Medicine (Hindawi) (24.08.2013)
Published in Journal of Computational Medicine (Hindawi) (24.08.2013)
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Journal Article